N-[1-(Aminomethyl)Cyclopropyl]-3-(4-Morpholinylsulfonyl)-N~2~-[(1S)-2,2,2-Trifluoro-1-(4-Fluorophenyl)Ethyl]-L-Alaninamide
Properties
Property | Value |
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Formula | C19H26F4N4O4S |
IUPAC Name | (2r)-n-[1-(aminomethyl)cyclopropyl]-3-morpholinosulfonyl-2-[[(1s)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]propanamide |
Molecular Mass | 482.493 g·mol−1 |
Heat of Formation | -1344.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.62 ± 1.08 D |
Volume | 537.31 Å 3 |
Surface Area | 434.25 Å 2 |
HOMO Energy | -9.36 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | BJIKKEHGGYGGIX-HOTGVXAUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |